REMARK  Name = BDB012791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.755   0.826  -1.607  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.861   0.248  -0.723  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.439   0.218  -1.042  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1       -0.226  -0.312   0.227  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1        0.831  -1.293   0.746  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        2.139  -0.565   0.451  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.351   1.304  -2.669  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.584  -0.907  -0.026  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -1.638  -2.122  -0.619  0.00  0.00    -0.256 NA
ATOM     10  C   LIG    1       -2.852  -2.656  -0.881  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -2.882  -4.006  -1.533  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1       -4.040  -2.006  -0.570  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.986  -0.751   0.038  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -2.733  -0.195   0.308  0.00  0.00    +0.032 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.212  -0.044   0.366  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.364   0.856   1.403  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -6.665   1.269   1.367  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -7.303   2.209   2.255  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.380   0.700   0.381  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -6.497  -0.097  -0.225  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   4   8
BRANCH   1  25
ATOM     21  C   LIG    1        6.273   0.899  -0.565  0.00  0.00    +0.063 A 
ATOM     22  N   LIG    1        6.351   1.182  -1.868  0.00  0.00    -0.178 NA
ATOM     23  N   LIG    1        5.072   1.180  -2.273  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        4.860   1.398  -3.243  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        4.163   0.866  -1.294  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.931   0.701  -0.157  0.00  0.00    +0.057 A 
BRANCH  21  28
ATOM     27  C   LIG    1        7.867   2.179   0.877  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        7.505   0.831   0.272  0.00  0.00    +0.054 C 
ENDBRANCH  21  28
ENDBRANCH   1  25
TORSDOF 4